SCHEMBL6349641

SCHEMBL6349641

COc1ccc(CCOc2ccc(C(=O)Nc3ccc(Br)cc3C(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.60
PLK3 Q9H4B4 1/20 0.60
MAPT P10636 1/20 0.60
AKR1C2 P52895 3/20 0.59
AKR1C1 Q04828 3/20 0.59
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KCNK2 O95069 2/20 0.49
KCNK10 P57789 1/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA9 Q16790 1/20 0.48
TOP2A P11388 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
F10 P00742 1/20 0.48
GPR35 Q9HC97 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6349430 0.90 AKR1C2 (0.75) PLK1PLK3MAPTAKR1C2AKR1C1
SCHEMBL6349859 0.88 MAPT (0.76) PLK1PLK3MAPTAKR1C2AKR1C1
SCHEMBL6353212 0.87 AKR1C2 (0.66) PLK1PLK3MAPTAKR1C2AKR1C1
SCHEMBL4211236 0.85 MAPT (0.59) PLK1PLK3MAPTAKR1C2AKR1C1
SCHEMBL6350022 0.85 AKR1C2 (0.72) PLK1PLK3MAPTAKR1C2AKR1C1
SCHEMBL6346862 0.85 AKR1C2 (0.80) PLK1PLK3MAPTAKR1C2AKR1C1
SCHEMBL6349385 0.83 AKR1C2 (0.71) PLK1MAPTAKR1C2AKR1C1MEN1
SCHEMBL4209179 0.83 AKR1C2 (0.56) PLK1PLK3MAPTAKR1C2AKR1C1
SCHEMBL6353181 0.83 AKR1C2 (0.77) PLK1PLK3MAPTAKR1C2AKR1C1
SCHEMBL4213146 0.82 AKR1C2 (0.61) PLK1PLK3MAPTAKR1C2AKR1C1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 PLK1 3959/4885PLK3 2501/4885MAPT 4753/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.